2,2',3,4',5,6-Hexachlorobiphenyl

Basic Information

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CAS Number

68194-13-8

Molecular Formula

C12H4Cl6

Molecular Weight

360.88 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

115.76°C (estimate)

Boiling Point

446.99°C (rough estimate)

Density

1.5940 (rough estimate)

Flash Point

183.2°C

Refractive Index

1.6270 (rough estimate)

SMILES

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C1=CC(=C(C=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H4Cl6/c13-5-1-2-6(7(14)3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H

InChIKey

AQONCPKMJSBHQT-UHFFFAOYSA-N

LogP

7.274

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

272

Synonyms & References

English

DTXSID1074200
1,1'-Biphenyl,2,2',3,4',5,6-hexachloro-
68194-13-8
AQONCPKMJSBHQT-UHFFFAOYSA-N
2,2',3,4',5,6-Hexachlorobiphenyl
DTXCID0045676
NS00076991
1VX95V2408
1,1'-Biphenyl, 2,2',3,4',5,6-hexachloro-
Q27252964
1,1'-Biphenyl, 2,2',3,4',5,6-hexachloro
1,2,4,5-tetrachloro-3-(2,4-dichlorophenyl)benzene
SCHEMBL4459802
UNII-1VX95V2408
PCB 147
2,2',3,4',5,6-Hexachloro-1,1'-biphenyl
2,2',3,4',5,6-Hexachlorobiphenyl Solution

MDL Number

MFCD00674471

FAQ

What are the physical and chemical properties of 2,2',3,4',5,6-Hexachlorobiphenyl (CAS: 68194-13-8)?

2,2',3,4',5,6-Hexachlorobiphenyl is a crystalline solid with a high molecular weight and limited solubility in common solvents. It is not very reactive under normal conditions. The compound has a melting point of approximately 300°C and is not readily biodegradable.

How is 2,2',3,4',5,6-Hexachlorobiphenyl (CAS: 68194-13-8) typically synthesized?

2,2',3,4',5,6-Hexachlorobiphenyl is typically synthesized through a series of chlorination reactions of biphenyl using chlorine gas as the chlorinating agent. The process involves multiple steps and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use 2,2',3,4',5,6-Hexachlorobiphenyl (CAS: 68194-13-8)?

2,2',3,4',5,6-Hexachlorobiphenyl was historically used in the production of flame retardants, but its use has been largely discontinued due to environmental concerns. However, it was once employed in the manufacturing of certain types of adhesives, sealants, and as a raw material for halogenated compounds.

What precautions should be taken when handling 2,2',3,4',5,6-Hexachlorobiphenyl (CAS: 68194-13-8)?

When handling 2,2',3,4',5,6-Hexachlorobiphenyl, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate procedures, and it is advisable to consult the Safety Data Sheet (SDS) for detailed instructions on handling and disposal.